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Sugi Predict / Compounds / SCHEMBL31073508

SCHEMBL31073508

SCHEMBL31073508

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 5/20 0.63
▸ GCGR P47871 1/20 0.63
▸ GIPR P48546 1/20 0.63
▸ ECE1 P42892 1/20 0.63
▸ MUS81 Q96NY9 1/20 0.63
▸ KISS1R Q969F8 8/20 0.61
▸ IL23R Q5VWK5 5/20 0.60
▸ NR3C1 P04150 2/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30906375 0.91 GLP1R (0.71) GLP1RECE1MUS81
SCHEMBL31182873 0.91 GLP1R (0.68) GLP1RGCGRGIPRECE1MUS81
SCHEMBL30262062 0.90 KISS1R (0.67) KISS1RIL23R
SCHEMBL30906520 0.89 BACE1 (0.57) GLP1RECE1MUS81KISS1R
SCHEMBL31683268 0.89 GLP1R (0.63) GLP1RGCGRGIPRECE1MUS81
SCHEMBL30423247 0.89 GLP1R (0.73) GLP1RGCGRGIPRECE1MUS81
SCHEMBL31182820 0.89 IL23R (0.67) GLP1RGCGRGIPRECE1MUS81
SCHEMBL30786644 0.89 KISS1R (0.61) KISS1R
SCHEMBL31683260 0.88 GLP1R (0.64) GLP1RGCGRGIPRECE1MUS81
SCHEMBL29358595 0.88 GLP1R (0.68) GLP1RGCGRGIPRECE1MUS81

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118777592-A Colloidal gold test strip for detecting anti-PLA 2R antibody, preparation method thereof, kit and application 江南大学 2024-10-15 — — CN disclosed